2-(4-tert-butylphenoxy)-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]acetamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H27N3O3S/c1-25(2,3)19-11-13-20(14-12-19)31-16-23(30)26-24(32)28-27-22(29)15-18-9-6-8-17-7-4-5-10-21(17)18/h4-14H,15-16H2,1-3H3,(H,27,29)(H2,26,28,30,32)